SCHEMBL7877547

SCHEMBL7877547

CCOC(=O)c1cc2c(Cl)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
RHEB Q15382 1/20 0.46
SRD5A2 P31213 1/20 0.45
GABRA1 P14867 4/20 0.44
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRA2 P47869 4/20 0.44
FFAR4 Q5NUL3 1/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7879779 0.89 FFAR4 (0.47) CDK1CCNB1SRD5A2GABRA1GABRG2
SCHEMBL30396083 0.89 RHEB (0.47) RHEBSRD5A2FFAR4KDM4ENPC1
SCHEMBL30396944 0.86 RHEB (0.60) RHEBSRD5A2KMT2AKDM4ENPC1
SCHEMBL10510005 0.85 SRD5A2 (0.43) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL7881413 0.84 S1PR1 (0.43) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4047141 0.81 RAB9A (0.53) CDK1CCNB1SRD5A2GABRA1GABRG2
SCHEMBL31501880 0.81 RAB9A (0.53) CDK1CCNB1SRD5A2GABRA1GABRG2
SCHEMBL8325034 0.80 CDK1 (0.63) CDK1CCNB1KMT2AKDM4ENPC1
SCHEMBL9749300 0.80 SRD5A2 (0.41) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL6804626 0.80 SRD5A2 (0.55) SRD5A2GABRA1GABRG2GABRB3GABRA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed